Pub Date : 2024-09-06DOI: 10.1016/j.vacuum.2024.113626
Non-evaporable getter (NEG) is widely used in vacuum packaging. However, there are two main contradictions. Firstly, the contradiction between bonding temperature of the device and activation temperature of the getter results in the getter being activated first and then packaged, and cannot be repeatedly activated, which seriously reduces the adsorption capacity and life of the getter. Secondly, the contradiction between the small package volume and the large adsorption capacity, how to integrate large adsorption capacity getter in a small space is a tricky problem. In view of the above contradictions, a porous scaffold-based getter activated by induction heating was proposed in this paper, results show that when nickel plating is used as the induction heating layer, the temperature can quickly rise to 700 °C within 10 s, and 1 μm Ti getter can be fully activated for 7 min. The good periodicity of the temperature curves proved that the nickel layer has good repeatable heating characteristics. In addition, the adsorption performance of the getter was tested and characterized at device level. The device level characterization of optical deflection method proves the effectiveness of induction heating to activate getter, which lays a foundation for the application of getter on MEMS devices.
非蒸发获取器(NEG)被广泛应用于真空包装。然而,其中存在两个主要矛盾。一是装置的粘合温度与吸附剂活化温度之间的矛盾,导致吸附剂先活化后包装,不能反复活化,严重降低了吸附剂的吸附能力和使用寿命。其次,小包装体积与大吸附容量之间的矛盾,如何在小空间内集成大吸附容量的getter是一个棘手的问题。针对上述矛盾,本文提出了一种基于多孔支架的感应加热活化俘获器,结果表明,当采用镀镍作为感应加热层时,温度可在 10 s 内迅速升至 700 ℃,1 μm Ti 俘获器可在 7 min 内被完全活化。温度曲线的良好周期性证明镍层具有良好的可重复加热特性。此外,还在器件级测试和表征了掺镍层的吸附性能。光学偏转法的器件级表征证明了感应加热对激活getter的有效性,这为getter在微机电系统器件上的应用奠定了基础。
{"title":"Research on performance of porous scaffold-based getter activated by induction heating and its application in MEMS device","authors":"","doi":"10.1016/j.vacuum.2024.113626","DOIUrl":"10.1016/j.vacuum.2024.113626","url":null,"abstract":"<div><p>Non-evaporable getter (NEG) is widely used in vacuum packaging. However, there are two main contradictions. Firstly, the contradiction between bonding temperature of the device and activation temperature of the getter results in the getter being activated first and then packaged, and cannot be repeatedly activated, which seriously reduces the adsorption capacity and life of the getter. Secondly, the contradiction between the small package volume and the large adsorption capacity, how to integrate large adsorption capacity getter in a small space is a tricky problem. In view of the above contradictions, a porous scaffold-based getter activated by induction heating was proposed in this paper, results show that when nickel plating is used as the induction heating layer, the temperature can quickly rise to 700 °C within 10 s, and 1 μm Ti getter can be fully activated for 7 min. The good periodicity of the temperature curves proved that the nickel layer has good repeatable heating characteristics. In addition, the adsorption performance of the getter was tested and characterized at device level. The device level characterization of optical deflection method proves the effectiveness of induction heating to activate getter, which lays a foundation for the application of getter on MEMS devices.</p></div>","PeriodicalId":23559,"journal":{"name":"Vacuum","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142173794","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-05DOI: 10.1016/j.vacuum.2024.113606
Using scanning and transmission electron microscopy, X-ray diffraction, profilometry, indentation and friction tests we investigated the microstructure and phase composition formation in the near-surface layer, microhardness, surface roughness, resistance to cracking and wear resistance in Ni3Al intermetallic compound and “Ni3Al base – thin powder TiC coating” system processed with low-energy high-current electron beam (LEHCEB). We revealed the crucial role of TiC particles in different behavior of these materials under LEHCEB irradiation with the surface energy density of 8 J/cm2, accelerating voltage of 30 kV and 10 pulses. The mass fraction of TiC in the near-surface was as much as 22 wt % after three times surfacing. It was found that the presence of TiC thin layer enabled essential microstructure and phase refinement in the near-surface layer of the surface composites and improvement in microhardness and wear resistance. The density of surface cracks in the surface composites is 1.8 lower with respect to TiC-free Ni3Al and the roughness keeps the same. The advantages of LEHCEB processing of intermetallic compounds with thin powder layers are attractive for possible practical application.
{"title":"Microstructure and properties of Ni3Al – TiC surface composites formed on Ni3Al using low-energy high-current electron beam","authors":"","doi":"10.1016/j.vacuum.2024.113606","DOIUrl":"10.1016/j.vacuum.2024.113606","url":null,"abstract":"<div><p>Using scanning and transmission electron microscopy, X-ray diffraction, profilometry, indentation and friction tests we investigated the microstructure and phase composition formation in the near-surface layer, microhardness, surface roughness, resistance to cracking and wear resistance in Ni<sub>3</sub>Al intermetallic compound and “Ni<sub>3</sub>Al base – thin powder TiC coating” system processed with low-energy high-current electron beam (LEHCEB). We revealed the crucial role of TiC particles in different behavior of these materials under LEHCEB irradiation with the surface energy density of 8 J/cm<sup>2</sup>, accelerating voltage of 30 kV and 10 pulses. The mass fraction of TiC in the near-surface was as much as 22 wt % after three times surfacing. It was found that the presence of TiC thin layer enabled essential microstructure and phase refinement in the near-surface layer of the surface composites and improvement in microhardness and wear resistance. The density of surface cracks in the surface composites is 1.8 lower with respect to TiC-free Ni<sub>3</sub>Al and the roughness keeps the same. The advantages of LEHCEB processing of intermetallic compounds with thin powder layers are attractive for possible practical application.</p></div>","PeriodicalId":23559,"journal":{"name":"Vacuum","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142167760","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-05DOI: 10.1016/j.vacuum.2024.113615
The high values of bolt preload force = 90–1200 kN created by the ITER remote handling system can be achieved by using dry coating lubricants such as magnetron sputtering film MoS2 or WS2. An expression was determined to estimate the contact pressure based on the number thread turns and the width of the thread contact area in fastened assemblies that used the Spiralock technology. This study investigated the tribological aspects of the magnetron sputtering MoS2 coating at different thicknesses = 6.4–21 μm, contact pressures = 20–1200 MPa against the spherical pin (austenitic stainless steel 316L(N)-IG) at elevated temperatures of = 250 °C in vacuum = 10−2–10−3 Pa. Friction data for “humid” and “dry” rectangular specimens with MoS2 coating were obtained and compared. With an increase in the thickness of the coating from 6.4 μm to 21 μm, we obtained a distinct stabilization the friction coefficient of the low friction coating for each given regime of wear that diminished from 0.09 ± 0.010 to 0.05 ± 0.005. The wear mechanism of the “layered MoS2 coating/metal substrate” tribosystem resulted in significant plastic deformation along the sliding direction of the MoS2 solid lubricant as well as microgrooving and microploughing of the coating by the asperities of the flat contact spot of the spherical pin. Regardless of the type of bolted pair alloys used, we concluded that it is necessary to deposit a low friction coating on both the internal and external threads of the ITER blanket module bolted joints that use the Spiralock technology.
{"title":"Antifriction characteristics of the magnetron sputtered MoS2 coating of ITER blanket module bolted joints in high vacuum at elevated temperature T =250 °C","authors":"","doi":"10.1016/j.vacuum.2024.113615","DOIUrl":"10.1016/j.vacuum.2024.113615","url":null,"abstract":"<div><p>The high values of bolt preload force <span><math><mrow><msub><mi>F</mi><mi>a</mi></msub></mrow></math></span> = 90–1200 kN created by the ITER remote handling system can be achieved by using dry coating lubricants such as magnetron sputtering film MoS<sub>2</sub> or WS<sub>2</sub>. An expression was determined to estimate the contact pressure based on the number thread turns and the width of the thread contact area in fastened assemblies that used the Spiralock technology. This study investigated the tribological aspects of the magnetron sputtering MoS<sub>2</sub> coating at different thicknesses <span><math><mrow><msub><mi>h</mi><mi>c</mi></msub></mrow></math></span> = 6.4–21 μm, contact pressures <span><math><mrow><msub><mi>p</mi><mi>a</mi></msub></mrow></math></span> = 20–1200 MPa against the spherical pin (austenitic stainless steel 316L(N)-IG) at elevated temperatures of <span><math><mrow><mi>T</mi></mrow></math></span> = 250 °C in vacuum <span><math><mrow><msub><mi>p</mi><mi>v</mi></msub></mrow></math></span> = 10<sup>−2</sup>–10<sup>−3</sup> Pa. Friction data for “humid” and “dry” rectangular specimens with MoS<sub>2</sub> coating were obtained and compared. With an increase in the thickness of the coating from 6.4 μm to 21 μm, we obtained a distinct stabilization the friction coefficient of the low friction coating for each given regime of wear that diminished from 0.09 ± 0.010 to 0.05 ± 0.005. The wear mechanism of the “layered MoS<sub>2</sub> coating/metal substrate” tribosystem resulted in significant plastic deformation along the sliding direction of the MoS<sub>2</sub> solid lubricant as well as microgrooving and microploughing of the coating by the asperities of the flat contact spot of the spherical pin. Regardless of the type of bolted pair alloys used, we concluded that it is necessary to deposit a low friction coating on both the internal and external threads of the ITER blanket module bolted joints that use the Spiralock technology.</p></div>","PeriodicalId":23559,"journal":{"name":"Vacuum","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142162833","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-05DOI: 10.1016/j.vacuum.2024.113619
Nickel thin films were deposited to the different thicknesses onto glass substrates using electron-beam glancing angle deposition. The changes in the structural, chemical, and magnetic properties of the films have been investigated. The obtained morphological and microstructural results revealed that the deposited samples consisted of vertical columns with a thickness in the range of 50 nm to 140 nm and a diameter of 15 nm to 29 nm. With the increase in film thickness, the surface roughness increases as well. Chemical analysis showed that the main phase in the samples is metallic Ni, with a certain amount of NiO. In addition, magnetic measurements exhibit that all Ni films show typical hysteresis loops with a uniaxial magnetic anisotropy. The coercivity was found to increase with the thickness up to 110 nm followed by its further decrease, probably due to the differences in the structure of the columns themselves as well as the combined contributions of two different antiferromagnetic (NiO) and ferromagnetic (Ni) phases created in the deposited nanostructures.
{"title":"Exploring thickness-dependent structural, chemical and magnetic properties of nanostructured nickel thin films","authors":"","doi":"10.1016/j.vacuum.2024.113619","DOIUrl":"10.1016/j.vacuum.2024.113619","url":null,"abstract":"<div><p>Nickel thin films were deposited to the different thicknesses onto glass substrates using electron-beam glancing angle deposition. The changes in the structural, chemical, and magnetic properties of the films have been investigated. The obtained morphological and microstructural results revealed that the deposited samples consisted of vertical columns with a thickness in the range of 50 nm to 140 nm and a diameter of 15 nm to 29 nm. With the increase in film thickness, the surface roughness increases as well. Chemical analysis showed that the main phase in the samples is metallic Ni, with a certain amount of NiO. In addition, magnetic measurements exhibit that all Ni films show typical hysteresis loops with a uniaxial magnetic anisotropy. The coercivity was found to increase with the thickness up to 110 nm followed by its further decrease, probably due to the differences in the structure of the columns themselves as well as the combined contributions of two different antiferromagnetic (NiO) and ferromagnetic (Ni) phases created in the deposited nanostructures.</p></div>","PeriodicalId":23559,"journal":{"name":"Vacuum","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142158408","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-04DOI: 10.1016/j.vacuum.2024.113618
The formation and destruction of the passivation film on AZ41 Mg alloy embedded in Portland cement paste were investigated via electrochemical methods and surface characterizations. Results indicate a thin but dense passivation film can be formed on the Mg alloy surface, while a distinctive sandwich-like structure of passivation film is observed on the Al-Mn phase. However, Cl− ions could lead to the destruction of the passivation film, resulting in the formation of a corrosion product layer even in the alkaline environment. Moreover, corrosion resistance of AZ41 Mg alloy embedded in Portland cement paste improves over time, while the introduction of chloride ions triggers a decline in corrosion resistance.
{"title":"Understanding the formation and vulnerability of passive films on magnesium alloy surface in Portland cement paste","authors":"","doi":"10.1016/j.vacuum.2024.113618","DOIUrl":"10.1016/j.vacuum.2024.113618","url":null,"abstract":"<div><p>The formation and destruction of the passivation film on AZ41 Mg alloy embedded in Portland cement paste were investigated via electrochemical methods and surface characterizations. Results indicate a thin but dense passivation film can be formed on the Mg alloy surface, while a distinctive sandwich-like structure of passivation film is observed on the Al-Mn phase. However, Cl<sup>−</sup> ions could lead to the destruction of the passivation film, resulting in the formation of a corrosion product layer even in the alkaline environment. Moreover, corrosion resistance of AZ41 Mg alloy embedded in Portland cement paste improves over time, while the introduction of chloride ions triggers a decline in corrosion resistance.</p></div>","PeriodicalId":23559,"journal":{"name":"Vacuum","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142162835","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-03DOI: 10.1016/j.vacuum.2024.113614
In this work, the photothermal effect of aminomodified MWCNTs/TiO2/SiO2/PDMS nanocomposites was utilized as a photothermal substrate to replace the metal heating block of traditional qPCR combining of the advantages of high photothermal effect of composite materials and low sample volume of static microfluidic PCR. Meanwhile, Multiple PCR rapid thermal cycles under 808 nm laser irradiation was accomplished through a non-contact energy conversion method and the use of chamber-immobilized PCR chips as specific reaction vessels. Notably, the chip chamber architecture requires merely about 8 μL of reagents compared to traditional PCR tubes. While reducing the amount of PCR reagents used, the higher specific surface area results in a larger contact surface (SSA) between the heat source and the solution. Thereafter, the CCD image sensor is then used as a fluorescence detector to monitor the amplification of the target DNA during the PCR reaction, thus enabling simultaneous fluorescence detection. In addition, the threshold cycle (Ct) value of qPCR and standard PCR curves for SARS-CoV-2 virus have been analysed in depth. Importantly, this study has important implications for the development of low-cost materials, miniaturized and portable Point-of-Care Testing (POCT) chips/systems.
{"title":"Rapid quantitative detection system constructed via photonic PCR based on the photothermal effect of NH2-MWCNTs/TiO2","authors":"","doi":"10.1016/j.vacuum.2024.113614","DOIUrl":"10.1016/j.vacuum.2024.113614","url":null,"abstract":"<div><p>In this work, the photothermal effect of aminomodified MWCNTs/TiO<sub>2</sub>/SiO<sub>2</sub>/PDMS nanocomposites was utilized as a photothermal substrate to replace the metal heating block of traditional qPCR combining of the advantages of high photothermal effect of composite materials and low sample volume of static microfluidic PCR. Meanwhile, Multiple PCR rapid thermal cycles under 808 nm laser irradiation was accomplished through a non-contact energy conversion method and the use of chamber-immobilized PCR chips as specific reaction vessels. Notably, the chip chamber architecture requires merely about 8 μL of reagents compared to traditional PCR tubes. While reducing the amount of PCR reagents used, the higher specific surface area results in a larger contact surface (SSA) between the heat source and the solution. Thereafter, the CCD image sensor is then used as a fluorescence detector to monitor the amplification of the target DNA during the PCR reaction, thus enabling simultaneous fluorescence detection. In addition, the threshold cycle (Ct) value of qPCR and standard PCR curves for SARS-CoV-2 virus have been analysed in depth. Importantly, this study has important implications for the development of low-cost materials, miniaturized and portable Point-of-Care Testing (POCT) chips/systems.</p></div>","PeriodicalId":23559,"journal":{"name":"Vacuum","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142136977","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-03DOI: 10.1016/j.vacuum.2024.113613
The γ-TiAl alloy is highly regarded as one of the most promising materials in the aerospace industry. Nonetheless, pore defects are an unavoidable challenge during its manufacturing process. To thoroughly examine the impact of these defects on the surface damage mechanism during the nanometric cutting of γ-TiAl alloy, this study utilizes molecular dynamics (MD) simulations to analyze the nanometric cutting of single-crystal γ-TiAl alloy containing pore defects. The research explores the influence of various cutting parameters and pore defect radii on cutting forces, atomic migration and surface morphology, stress and strain, sub-surface defect evolution and atomic phase transformation, and dislocation dynamics, with the goal of clarifying the surface damage mechanisms in nanometric cutting.The findings indicate that as the pore defect radius increases, the disparity between Fx and Fz becomes more pronounced, the Von Mises stress within the chip decreases, and the thickness of the sub-surface defect structure layer diminishes. When the pore defect radius is 15 Å, a "shear-off" phenomenon is observed on the cutting surface, with Fx values ranging from 2.5 to 7 times those of Fz. An increase in cutting depth results in a broader side flow width of the surface chip, raising the proportion of atoms from layers without pore defects within the chip. At a cutting depth of 20 Å, the matrix with larger pore defects shows a distinct strain distribution profile. The atomic structure of the matrix primarily consists of FCC-structured atoms.At high cutting speeds, when the pore defect radius is 10 Å, an increase in cutting depth from 10 Å to 30 Å leads to a 7.9 % rise in amorphous structure atoms. During the cutting process, dislocations predominantly occur in the shear slip zone and near the pore defects. At a cutting speed of 50 m/s and a cutting depth of 10 Å, the density of 1/6<112>(Shockley) dislocations for a pore defect size of 15 Å is 2.24 times that of a 10 Å defect; at a cutting depth of 30 Å, the density of 1/6<112>(Shockley) dislocations for a 10 Å pore defect is 2.15 times that of a 15 Å defect.
γ-TiAl合金被高度评价为航空航天工业中最有前途的材料之一。然而,孔隙缺陷是其制造过程中不可避免的挑战。为了深入研究这些缺陷对γ-TiAl 合金纳米切割过程中表面损伤机制的影响,本研究利用分子动力学(MD)模拟分析了含有孔隙缺陷的单晶γ-TiAl 合金的纳米切割。研究探讨了各种切削参数和孔隙缺陷半径对切削力、原子迁移和表面形貌、应力和应变、次表面缺陷演变和原子相变以及位错动力学的影响,旨在阐明纳米切削中的表面损伤机理。当孔隙缺陷半径为 15 Å 时,切削表面会出现 "剪断 "现象,Fx 值是 Fz 值的 2.5 到 7 倍。切割深度的增加导致表面切屑的侧流宽度变宽,提高了切屑中来自无孔隙缺陷层的原子比例。在切割深度为 20 Å 时,具有较大孔隙缺陷的基体显示出明显的应变分布曲线。在高速切割时,当孔隙缺陷半径为 10 Å 时,切割深度从 10 Å 增加到 30 Å 会导致无定形结构原子的比例增加 7.9%。在切割过程中,位错主要发生在剪切滑移区和孔隙缺陷附近。在切割速度为 50 m/s 和切割深度为 10 Å 时,孔隙缺陷大小为 15 Å 的 1/6<112>(Shockley) 位错密度是 10 Å 缺陷的 2.24 倍;在切割深度为 30 Å 时,10 Å 孔隙缺陷的 1/6<112>(Shockley) 位错密度是 15 Å 缺陷的 2.15 倍。
{"title":"Investigation on the surface damage mechanism of single-crystal γ-TiAl alloy with pore defects based on nanocutting","authors":"","doi":"10.1016/j.vacuum.2024.113613","DOIUrl":"10.1016/j.vacuum.2024.113613","url":null,"abstract":"<div><p>The γ-TiAl alloy is highly regarded as one of the most promising materials in the aerospace industry. Nonetheless, pore defects are an unavoidable challenge during its manufacturing process. To thoroughly examine the impact of these defects on the surface damage mechanism during the nanometric cutting of γ-TiAl alloy, this study utilizes molecular dynamics (MD) simulations to analyze the nanometric cutting of single-crystal γ-TiAl alloy containing pore defects. The research explores the influence of various cutting parameters and pore defect radii on cutting forces, atomic migration and surface morphology, stress and strain, sub-surface defect evolution and atomic phase transformation, and dislocation dynamics, with the goal of clarifying the surface damage mechanisms in nanometric cutting.The findings indicate that as the pore defect radius increases, the disparity between Fx and Fz becomes more pronounced, the Von Mises stress within the chip decreases, and the thickness of the sub-surface defect structure layer diminishes. When the pore defect radius is 15 Å, a \"shear-off\" phenomenon is observed on the cutting surface, with Fx values ranging from 2.5 to 7 times those of Fz. An increase in cutting depth results in a broader side flow width of the surface chip, raising the proportion of atoms from layers without pore defects within the chip. At a cutting depth of 20 Å, the matrix with larger pore defects shows a distinct strain distribution profile. The atomic structure of the matrix primarily consists of FCC-structured atoms.At high cutting speeds, when the pore defect radius is 10 Å, an increase in cutting depth from 10 Å to 30 Å leads to a 7.9 % rise in amorphous structure atoms. During the cutting process, dislocations predominantly occur in the shear slip zone and near the pore defects. At a cutting speed of 50 m/s and a cutting depth of 10 Å, the density of 1/6<112>(Shockley) dislocations for a pore defect size of 15 Å is 2.24 times that of a 10 Å defect; at a cutting depth of 30 Å, the density of 1/6<112>(Shockley) dislocations for a 10 Å pore defect is 2.15 times that of a 15 Å defect.</p></div>","PeriodicalId":23559,"journal":{"name":"Vacuum","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142149340","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-03DOI: 10.1016/j.vacuum.2024.113610
Aqueous rechargeable zinc metal batteries have garnered widespread attention due to their inherent high safety, high volumetric capacity, and low cost. However, the uncontrollable growth of zinc dendrites and severe hydrogen evolution reaction (HER) side reactions lead to low Coulombic efficiency and short lifespan of zinc metal anodes, hindering their practical application. We employed a plasma fluorination strategy to in-situ react on the surface of zinc metal to generate an electron-insulating ZnF2 coating, which reduces HER, suppresses dendrite growth, and enhances the wettability of the electrode with the electrolyte. Through density functional theory (DFT) and molecular dynamics (MD) simulations, we systematically studied the mechanism by which ZnF2 improves interfacial properties, suppresses the hydrogen evolution reaction (HER), and inhibits dendrite formation. Ultimately, symmetric batteries and Zn@ZnF2||Cu batteries assembled with Zn@ZnF2 electrodes exhibited significantly extended cycle life and high Coulombic efficiency. Full cells of Zn@ZnF2||MnO2@CNT achieved a cycle life of over 5000 cycles at a current density of 1 A g−1. This study provides a practical method for industrial treatment of the Zn surface and offers an in-depth analysis and discussion of the role of ZnF2 in inhibiting dendrite growth, HER, and improving interfacial wettability in zinc-ion batteries.
{"title":"Interfacial electronic insulation strategy for high-performance Zinc-ion batteries","authors":"","doi":"10.1016/j.vacuum.2024.113610","DOIUrl":"10.1016/j.vacuum.2024.113610","url":null,"abstract":"<div><p>Aqueous rechargeable zinc metal batteries have garnered widespread attention due to their inherent high safety, high volumetric capacity, and low cost. However, the uncontrollable growth of zinc dendrites and severe hydrogen evolution reaction (HER) side reactions lead to low Coulombic efficiency and short lifespan of zinc metal anodes, hindering their practical application. We employed a plasma fluorination strategy to in-situ react on the surface of zinc metal to generate an electron-insulating ZnF<sub>2</sub> coating, which reduces HER, suppresses dendrite growth, and enhances the wettability of the electrode with the electrolyte. Through density functional theory (DFT) and molecular dynamics (MD) simulations, we systematically studied the mechanism by which ZnF<sub>2</sub> improves interfacial properties, suppresses the hydrogen evolution reaction (HER), and inhibits dendrite formation. Ultimately, symmetric batteries and Zn@ZnF<sub>2</sub>||Cu batteries assembled with Zn@ZnF<sub>2</sub> electrodes exhibited significantly extended cycle life and high Coulombic efficiency. Full cells of Zn@ZnF<sub>2</sub>||MnO<sub>2</sub>@CNT achieved a cycle life of over 5000 cycles at a current density of 1 A g<sup>−1</sup>. This study provides a practical method for industrial treatment of the Zn surface and offers an in-depth analysis and discussion of the role of ZnF<sub>2</sub> in inhibiting dendrite growth, HER, and improving interfacial wettability in zinc-ion batteries.</p></div>","PeriodicalId":23559,"journal":{"name":"Vacuum","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142148681","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-03DOI: 10.1016/j.vacuum.2024.113616
The structure transition of metallic melt strongly depends on temperature and significantly influences the comprehensive properties. However, observing the structure change in experiments is still challenging. Here, molecular dynamics is used to study the melting process and microstructural evolution in single crystal and polycrystal cobalt (Co). The results indicate that the melting process of single crystal structure starts from 1870 K and lasts for a very short period, while the polycrystal melts from about 1760 to 1870 K. In polycrystal Co, the melting initially occurs in grain boundaries, and the melting temperature shows a positive correlation with grain size. An interesting solidification phenomenon occurs on the surface of big grains in the beginning of melting process. The coordination number increasing from 12 to about 13.4 near melting point proves the local expansion of the first coordination shell, indicating the structural evolution from long-range order to short-range order in the continuous heating process. The common neighbor sub-cluster index and Voronoi polyhedron demonstrate the short-range icosahedron structures, while these polyhedrons become polydisperse and isolated in Co liquid. The findings ignite the investigation of the liquid structure origin of crystal materials and extend the understanding of the atomic structure evolution in melting.
金属熔体的结构转变与温度密切相关,并对其综合性能产生重大影响。然而,在实验中观察结构变化仍然具有挑战性。本文采用分子动力学方法研究了单晶和多晶钴(Co)的熔化过程和微观结构演变。结果表明,单晶结构的熔化过程从 1870 K 开始,持续时间很短,而多晶体的熔化过程大约从 1760 K 到 1870 K。在熔化初期,大晶粒表面会出现有趣的凝固现象。在熔点附近,配位数从 12 增加到约 13.4,证明了第一配位层的局部扩展,表明在持续加热过程中,结构从长程有序向短程有序演化。共邻次簇指数和 Voronoi 多面体证明了短程二十面体结构,而这些多面体在 Co 液体中变得多分散和孤立。这些发现开启了对晶体材料液态结构起源的研究,并扩展了对熔化过程中原子结构演变的理解。
{"title":"Temperature-induced structure evolution in monocrystalline and polycrystalline cobalt via molecular dynamics simulations","authors":"","doi":"10.1016/j.vacuum.2024.113616","DOIUrl":"10.1016/j.vacuum.2024.113616","url":null,"abstract":"<div><p>The structure transition of metallic melt strongly depends on temperature and significantly influences the comprehensive properties. However, observing the structure change in experiments is still challenging. Here, molecular dynamics is used to study the melting process and microstructural evolution in single crystal and polycrystal cobalt (Co). The results indicate that the melting process of single crystal structure starts from 1870 K and lasts for a very short period, while the polycrystal melts from about 1760 to 1870 K. In polycrystal Co, the melting initially occurs in grain boundaries, and the melting temperature shows a positive correlation with grain size. An interesting solidification phenomenon occurs on the surface of big grains in the beginning of melting process. The coordination number increasing from 12 to about 13.4 near melting point proves the local expansion of the first coordination shell, indicating the structural evolution from long-range order to short-range order in the continuous heating process. The common neighbor sub-cluster index and Voronoi polyhedron demonstrate the short-range icosahedron structures, while these polyhedrons become polydisperse and isolated in Co liquid. The findings ignite the investigation of the liquid structure origin of crystal materials and extend the understanding of the atomic structure evolution in melting.</p></div>","PeriodicalId":23559,"journal":{"name":"Vacuum","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142148754","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-03DOI: 10.1016/j.vacuum.2024.113612
The performance upgrading of iron and nitrogen co-doped carbon (Fe-N-C) for peroxymonosulfate (PMS) activation towards contaminants removal and elucidation of the activation mechanism still remains a challenge. In this study, novel iron and nitrogen co-doped carbon (Fe-N-C) catalysts are fabricated through pyrolysis of Fe-modified zeolitic imidazolate framework-8 (ZIF-8) nanocrystals. Catalytic experiments prove that synergistic effects of FeNx and α/γ-Fe species can boost peroxymonosulfate activation and pollutants degradation. Density functional theory simulations disclose that α/γ-Fe species can optimize the d-band center of FeNx and adsorption energy for PMS activation, and thus achieve the enhanced catalytic activities for degradation process. Mechanism studies testify that Fe-N-C-PMS* complex and 1O2 are main contributors for the catalytic process. This work paves a new way for elaborate design of high-performance Fe-N-C materials and understanding about the non-radical mechanism during environmental applications.
{"title":"Iron and nitrogen co-doped carbon catalysts derived from ZIF-8 towards enhanced peroxymonosulfate activation and contaminants removal: The synergistic effects of FeNx and α/γ-Fe species","authors":"","doi":"10.1016/j.vacuum.2024.113612","DOIUrl":"10.1016/j.vacuum.2024.113612","url":null,"abstract":"<div><p>The performance upgrading of iron and nitrogen co-doped carbon (Fe-N-C) for peroxymonosulfate (PMS) activation towards contaminants removal and elucidation of the activation mechanism still remains a challenge. In this study, novel iron and nitrogen co-doped carbon (Fe-N-C) catalysts are fabricated through pyrolysis of Fe-modified zeolitic imidazolate framework-8 (ZIF-8) nanocrystals. Catalytic experiments prove that synergistic effects of FeN<sub><em>x</em></sub> and α/γ-Fe species can boost peroxymonosulfate activation and pollutants degradation. Density functional theory simulations disclose that α/γ-Fe species can optimize the d-band center of FeN<sub><em>x</em></sub> and adsorption energy for PMS activation, and thus achieve the enhanced catalytic activities for degradation process. Mechanism studies testify that Fe-N-C-PMS* complex and <sup>1</sup>O<sub>2</sub> are main contributors for the catalytic process. This work paves a new way for elaborate design of high-performance Fe-N-C materials and understanding about the non-radical mechanism during environmental applications.</p></div>","PeriodicalId":23559,"journal":{"name":"Vacuum","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142136976","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}